0 B5R0.3 C=C(CCl)CCl CS-W011177 [0,0,0,0,0,0|2,0,2]=4 1 B5R0.3 C=C(CO)CO CS-W009247 [0,0,0,0,0,0|2,0,2]=4 2 B5R0.3 C=C[C@H](N)CO CS-0088065 [0,0,0,0,0,0|2,0,2]=4 3 B5R0.3 CC[C@@H](N)CO CS-W020734 [0,0,0,0,0,0|2,0,0]=2 4 B5R0.3 CC[C@H](N)CO CS-W013745 [0,0,0,0,0,0|2,0,0]=2 5 B5R0.3 CNC(=O)CBr CS-0023001 [0,0,0,0,0,0|3,0,1]=4 6 B5R0.3 CNC(=O)CCl CS-W007769 [0,0,0,0,0,0|3,0,1]=4 7 B5R0.3 CNC(=S)NN CS-W013678 [0,0,0,0,0,0|3,0,1]=4 8 B5R0.3 COC(=O)CN CS-W018508 [0,0,0,0,0,0|2,0,1]=3 9 B5R0.3 COC(=O)NN CS-0015902 [0,0,0,0,0,0|3,0,1]=4 10 B5R0.3 NC(CO)CO CS-W007357 [0,0,0,0,0,0|3,0,0]=3 11 B4R0.1 CC(=O)NN CS-D1403 [1,0,0,0,0,0|2,0,1]=4 12 B4R0.1 CC(N)CO CS-W018531 [1,0,0,0,0,0|1,0,0]=2 13 B4R0.1 CC(O)CBr CS-0063182 [1,0,0,0,0,0|2,0,0]=3 14 B4R0.1 CCC(=N)O CS-W016688 [1,0,0,0,0,0|1,0,2]=4 15 B4R0.1 CC[C@H](C)N CS-0084847 [1,0,0,0,0,0|0,0,0]=1 16 B4R0.1 COC(=N)N CS-W019574 [1,0,0,0,0,0|2,0,1]=4 17 B4R0.1 CSC(=N)N CS-0011749 [1,0,0,0,0,0|2,0,1]=4 18 B4R0.1 NCC(N)=O CS-W019695 [1,0,0,0,0,0|2,0,1]=4 19 B4R0.2 BrCCCBr CS-W020641 [1,0,0,0,0,0|2,0,0]=3 20 B4R0.2 C=CCON CS-0010194 [1,0,0,0,0,0|1,0,2]=4 21 B4R0.2 NCCCBr CS-W008585 [1,0,0,0,0,0|1,0,0]=2 22 B4R0.2 NCCCCl CS-0015792 [1,0,0,0,0,0|1,0,0]=2 23 B4R0.2 NCCCO CS-W020089 [1,0,0,0,0,0|1,0,0]=2 24 B6R0.1 CCC[C@H](N)CO CS-M2256 [0,1,0,0,0,0|2,0,0]=3 25 B6R0.1 CCOC(=O)CN CS-W020007 [0,1,0,0,0,0|1,0,1]=3 26 B6R0.1 CCO\C(C)=N\O CS-W013688 [0,1,0,0,0,0|2,0,1]=4 27 B6R0.1 COC(C)CCO CS-W013686 [0,1,0,0,0,0|2,0,0]=3 28 B6R0.1 COCC(=O)NN CS-W005634 [0,1,0,0,0,0|2,0,1]=4 29 B6R0.3 COC(C)C(=O)O CS-W004806 [0,1,0,0,0,0|2,0,1]=4 30 B6R0.3 NC(=O)C(Br)CBr CS-0013982 [0,1,0,0,0,0|2,0,1]=4 31 B6R0.8 NCC(F)(F)CO CS-B1180 [0,1,0,0,0,0|2,0,0]=3 32 B6R0.9 CCN(C=O)CC CS-W009551 [0,1,0,0,0,0|2,0,1]=4 33 B6R0.9 COC(CBr)OC CS-W018536 [0,1,0,0,0,0|2,0,0]=3 34 B6R1.2 BrC1CCNC1 CS-W005728 [0,0,0,1,0,0|1,0,0]=2 35 B6R1.2 CC1CCNC1 CS-W021968 [0,0,0,1,0,0|0,0,0]=1 36 B6R1.2 NC1CCOC1 CS-D1564 [0,0,0,1,0,0|2,0,0]=3 37 B6R1.2 O=C1CCSC1 CS-W011310 [0,0,0,1,0,0|2,0,1]=4 38 B6R1.2 O[C@H]1CCNC1 CS-W008801 [0,0,0,1,0,0|1,0,0]=2 39 B6R1.6 BrCC1CCC1 CS-0015296 [0,0,0,1,0,0|1,0,0]=2 40 B6R1.6 BrCC1COC1 CS-W018850 [0,0,0,1,0,0|2,0,0]=3 41 B6R1.6 CNC1CNC1 CS-0043910 [0,0,0,1,0,0|1,0,0]=2 42 B6R1.6 CNC1COC1 CS-0040193 [0,0,0,1,0,0|2,0,0]=3 43 B6R1.6 OCC1CNC1 CS-D1756 [0,0,0,1,0,0|1,0,0]=2 44 B6R1.7 CC1(CCl)CO1 CS-0089843 [0,0,0,1,0,0|2,0,0]=3 45 B3R0.1 CCCN CS-0079898 [2,0,0,0,0,0|0,0,0]=2 46 B3R0.1 N#CCN CS-W013739 [2,0,0,0,0,0|1,0,1]=4 47 B3R0.1 NCCCl CS-W013617 [2,0,0,0,0,0|1,0,0]=3 48 B3R0.1 NCCF CS-W007788 [2,0,0,0,0,0|1,0,0]=3 49 B3R0.2 [ZrH](C)(C)Cl CS-W020093 [2,0,0,0,0,0|2,0,0]=4 50 B5R0.1 CC(=O)CCO CS-0044370 [1,1,0,0,0,0|1,0,1]=4 51 B5R0.1 CC(N)CC#N CS-W020282 [1,1,0,0,0,0|0,0,1]=3 52 B5R0.1 CC(N)CCO CS-W004841 [1,1,0,0,0,0|0,0,0]=2 53 B5R0.1 CCOC(C)=N CS-W008601 [1,1,0,0,0,0|0,0,2]=4 54 B5R0.1 COC[C@@H](C)O CS-0019059 [1,1,0,0,0,0|1,0,0]=3 55 B5R0.4 CC(C)(N)C#N CS-W005215 [1,1,0,0,0,0|0,0,2]=4 56 B5R0.4 CC(C)(N)CO CS-W013743 [1,1,0,0,0,0|1,0,0]=3 57 B5R0.4 CC(C)(O)CN CS-W008799 [1,1,0,0,0,0|0,0,0]=2 58 B5R0.4 NCC(F)(F)F CS-W013336 [1,1,0,0,0,0|2,0,0]=4 59 B5R0.5 CC(C)C(N)=O CS-W019979 [1,1,0,0,0,0|0,0,1]=3 60 B5R0.5 CC(N)C(=O)O CS-0022544 [1,1,0,0,0,0|1,0,1]=4 61 B5R0.5 C[C@@H](O)C(N)=O CS-W016674 [1,1,0,0,0,0|1,0,1]=4 62 B5R0.2 BrCCCCBr CS-W020631 [1,1,0,0,0,0|1,0,0]=3 63 B5R0.2 C#CCCCCl CS-W009550 [1,1,0,0,0,0|1,0,1]=4 64 B5R0.2 C=CCCCO CS-W011355 [1,1,0,0,0,0|1,0,1]=4 65 B5R0.2 COCCC#N CS-0030563 [1,1,0,0,0,0|0,0,2]=4 66 B5R0.2 ICCCCI CS-W004871 [1,1,0,0,0,0|1,0,0]=3 67 B5R0.2 N#CCCCCl CS-D1161 [1,1,0,0,0,0|0,0,2]=4 68 B5R0.2 NC\C=C/CCl CS-M0797 [1,1,0,0,0,0|0,0,2]=4 69 B5R0.2 NOCCON CS-0070013 [1,1,0,0,0,0|2,0,0]=4 70 B7R0.2 CN(C)CC(O)CO CS-W016584 [0,2,0,0,0,0|2,0,0]=4 71 B7R0.2 [C@H](N)(CO)CC(C)C CS-W013604 [0,2,0,0,0,0|2,0,0]=4 72 B7R0.7 COCC(N)COC CS-W005488 [0,2,0,0,0,0|2,0,0]=4 73 B7R0.12 COC(CCBr)OC CS-W023200 [0,2,0,0,0,0|2,0,0]=4 74 B7R0.13 CC(C)(CN)C(N)=O CS-W003343 [0,2,0,0,0,0|1,0,1]=4 75 B7R0.14 [C@@H](N)(CO)C(C)(C)C CS-W005274 [0,2,0,0,0,0|2,0,0]=4 76 B5R1.2 CC1CNC1 CS-W019342 [1,0,0,1,0,0|0,0,0]=2 77 B5R1.3 ClC[C@@H]1CO1 CS-0015935 [1,0,0,1,0,0|2,0,0]=4 78 B5R1.3 N#CC1CC1 CS-D1406 [1,0,0,1,0,0|0,0,2]=4 79 B5R1.1 C1CSCN1 CS-0006687 [1,0,0,1,0,0|1,0,0]=3 80 B7R1.1 COC1CCNC1 CS-W004880 [0,1,0,1,0,0|0,0,0]=2 81 B7R1.1 NCC1CCCN1 CS-0019253 [0,1,0,1,0,0|0,0,0]=2 82 B7R1.1 NCC1CCOC1 CS-W004787 [0,1,0,1,0,0|0,0,0]=2 83 B7R1.1 OCC1CCOC1 CS-D1159 [0,1,0,1,0,0|1,0,0]=3 84 B7R1.1 OC[C@@H]1CCCO1 CS-0031452 [0,1,0,1,0,0|1,0,0]=3 85 B7R1.1 OC[C@@H]1CCNC1 CS-0005415 [0,1,0,1,0,0|0,0,0]=2 86 B7R1.2 NC1CCC(O)C1 CS-W005211 [0,1,0,1,0,0|1,0,0]=3 87 B7R1.2 N[C@@H]1CC[C@H](O)C1 CS-0058643 [0,1,0,1,0,0|1,0,0]=3 88 B7R1.3 BrC1CCCCC1 CS-W017925 [0,1,0,1,0,0|2,0,0]=4 89 B7R1.3 C=C1CCNCC1 CS-D0508 [0,1,0,1,0,0|0,0,2]=4 90 B7R1.3 C[C@@H]1CNCCN1 CS-W020739 [0,1,0,1,0,0|0,0,0]=2 91 B7R1.3 C[C@H]1CNCCO1 CS-W020614 [0,1,0,1,0,0|0,0,0]=2 92 B7R1.3 ClC1CCNCC1 CS-W006160 [0,1,0,1,0,0|1,0,0]=3 93 B7R1.3 N[C@@H]1CCCNC1 CS-B0670 [0,1,0,1,0,0|1,0,0]=3 94 B7R1.3 OC1CCCNC1 CS-D1393 [0,1,0,1,0,0|1,0,0]=3 95 B7R1.3 OC1CCCOC1 CS-D1560 [0,1,0,1,0,0|2,0,0]=4 96 B7R1.3 [C@H]1(C)CNCCN1 CS-W011321 [0,1,0,1,0,0|0,0,0]=2 97 B7R1.4 NC1CCNC1=O CS-0113495 [0,1,0,1,0,0|1,0,1]=4 98 B7R1.4 [C@@H]1(N)CCOC1=O CS-W011054 [0,1,0,1,0,0|1,0,1]=4 99 B7R1.4 [C@H]1(N)CCOC1=O CS-W016516 [0,1,0,1,0,0|1,0,1]=4 100 B7R1.18 O=C(O)C1CNC1 CS-W019846 [0,1,0,1,0,0|1,0,1]=4 101 B7R1.14 CC1(C)CCCN1 CS-W021476 [0,1,0,1,0,0|2,0,0]=4